N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine

C11H14BrNO — CID 164654731

IUPACN-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine
SMILESCC(NC1C=CCC1)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO/c1-8(10-6-7-11(12)14-10)13-9-4-2-3-5-9/h2,4,6-9,13H,3,5H2,1H3
InChIKeyLNJMCCILOSXCJV-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine

N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine (PubChem CID 164654731) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine
PubChem CID164654731
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine
SMILESCC(NC1C=CCC1)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO/c1-8(10-6-7-11(12)14-10)13-9-4-2-3-5-9/h2,4,6-9,13H,3,5H2,1H3
InChIKeyLNJMCCILOSXCJV-UHFFFAOYSA-N
XLogP3.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]cyclobutanamine
CID 104652955
(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
CID 122395369
N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine
CID 104652520
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 113437556
N-[1-(5-bromofuran-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 104651994
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
3-[1-(5-bromofuran-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 113437711
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
N-[1-(5-bromofuran-2-yl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 104652579
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine (CID 164654731) is N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine is CC(NC1C=CCC1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine?
The InChIKey is LNJMCCILOSXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(10-6-7-11(12)14-10)13-9-4-2-3-5-9/h2,4,6-9,13H,3,5H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine?
N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine has a molecular weight of 256.14 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 164654731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).